2-cyclohexylethyl 3-(pyridin-2-ylamino)-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 2-cyclohexylethyl 3-(pyridin-2-ylamino)-3-sulfanylidene-propanoate hydrochloride Openeye Name: 2-cyclohexylethyl 3-(2-pyridylamino)-3-thioxo-propanoate hydrochloride CAS Name: 3-(2-pyridinylamino)-3-sulfanylidenepropanoic acid 2-cyclohexylethyl ester hydrochloride IUPAC Name: 2-cyclohexylethyl 3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-(2-pyridylamino)-3-thioxo-propionic acid 2-cyclohexylethyl ester hydrochloride Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)CC(=S)NC2=CC=CC=N2.Cl

Isomeric SMILES

C1CCC(CC1)CCOC(=O)CC(=S)NC2=CC=CC=N2.Cl

InChI

InChI=1S/C16H22N2O2S.ClH/c19-16(20-11-9-13-6-2-1-3-7-13)12-15(21)18-14-8-4-5-10-17-14;/h4-5,8,10,13H,1-3,6-7,9,11-12H2,(H,17,18,21);1H